SCHEMBL515454

SCHEMBL515454

C=CCC1CCCCN1[O]

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.44
CHRNA7 P36544 2/20 0.44
CHRNA4 P43681 2/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
NOS1 P29475 4/20 0.34
NOS2 P35228 4/20 0.34
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
NOS3 P29474 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3985111 0.77 CHRNB2 (0.45) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL7147030 0.76 CHRNB2 (0.41) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL19922063 0.75 CHRNB2 (0.44) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL1934292 0.75 CHRNB2 (0.47) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL25764949 0.75 CHRNB2 (0.44) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL12105152 0.75 CYP1A2 (0.50) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL3434244 0.75 CHRNB2 (0.44) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL4559420 0.73 CHRNB2 (0.42) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL9327568 0.73 CHRNB2 (0.42) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL7073933 0.73 CHRNB2 (0.40) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029626-A1 Cyclic sulfones useful as mitochondrial sodium-calcium exchangers NOVARTIS AG (CH) 2010-02-04 US claimed
CN-109306027-B Bifunctional photoinitiator and application thereof 北京英力科技发展有限公司 2020-09-01 CN disclosed
EP-2935289-B1 DERIVATIVES OF BISACYLPHOSPHINIC ACID, THEIR PREPARATION AND USE AS PHOTOINITIATORS IGM GROUP B V (NL) 2019-06-26 EP disclosed
EP-3459957-A1 DERIVATIVES OF BISACYLPHOSPHINIC ACID, THEIR PREPARATION AND USE AS PHOTOINITIATORS IGM Group B.V. (NL) 2019-03-27 EP disclosed
EP-3019508-B1 LIQUID BISACYLPHOSPHINE OXIDE PHOTOINITIATOR IGM GROUP B V (NL) 2019-01-30 EP disclosed
US-10040810-B2 Derivatives of bisacylphosphinic acid, their preparation and use as photoinitiators BASF SE (DE) 2018-08-07 US disclosed
EP-2909165-B1 HYBRID PHOTOINITIATORS IGM GROUP B V (NL) 2018-05-30 EP disclosed
EP-2459519-B1 MACROPHOTOINITIATORS BASF SE (DE) 2017-11-29 EP disclosed
US-9796740-B2 Liquid bisacylphosphine oxide photoinitiator BASF SE (DE) 2017-10-24 US disclosed
US-9701762-B2 Hybrid photoinitiators BASF SE (DE) 2017-07-11 US disclosed
EP-1353959-A1 SURFACE-ACTIVE PHOTOINITIATORS Ciba SC Holding AG (CH) 2003-10-22 EP disclosed
EP-1349877-A1 SURFACE-ACTIVE PHOTOINITIATORS Ciba SC Holding AG (CH) 2003-10-08 EP disclosed
EP-1341823-A1 SURFACE-ACTIVE PHOTOINITIATORS Ciba SC Holding AG (CH) 2003-09-10 EP disclosed
WO-2003066687-A2 SURFACE-ACTIVE PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-08-14 WO disclosed
EP-1309599-A1 SURFACE-ACTIVE PHOTOINITIATORS Ciba SC Holding AG (CH) 2003-05-14 EP disclosed
WO-2002048203-A1 SURFACE-ACTIVE PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-06-20 WO disclosed
WO-2002048202-A1 SURFACE-ACTIVE PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-06-20 WO disclosed
WO-2002048204-A1 SURFACE-ACTIVE PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-06-20 WO disclosed
WO-2002040602-A1 FLUORINATED-PHOTOINITIATORS IN DUAL CURE RESINS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-05-23 WO disclosed
WO-2002014326-A1 SURFACE-ACTIVE PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-02-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100029626-A1 Cyclic sulfones useful as mitochondrial sodium-calcium exchangers SLC8B1, MCU, GLS CHRNB2 4377/4885CHRNA7 4314/4885CHRNA4 4670/4885
US-10040810-B2 Derivatives of bisacylphosphinic acid, their preparation and use as photoinitiators ARSA, RER1, ACSL6 CHRNB2 2018/4885CHRNA7 878/4885CHRNA4 1379/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.